Chemical Properties of Acetic acid, (17beta-hydroxy-3-oxo-5beta-androstan-16-beta-yl)-, lactone (CAS 104713-06-6)

Acetic acid, (17beta-hydroxy-3-oxo-5beta-androstan-16-beta-yl)-, lactone

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InChI
InChI=1S/C21H30O3/c1-20-7-5-14(22)11-13(20)3-4-15-16(20)6-8-21(2)17(15)9-12-10-18(23)24-19(12)21/h12-13,15-17,19H,3-11H2,1-2H3
InChI Key
QLIYDRBKFUETLS-UHFFFAOYSA-N
Formula
C21H30O3
SMILES
CC12CCC3C(CCC4CC(=O)CCC43C)C1CC1CC(=O)OC12
Molecular Weight1
330.46
CAS
104713-06-6
Sources

Physical Properties

Property Value Unit Source
Δf 3.78 kJ/mol Joback Calculated Property
Δfgas -581.51 kJ/mol Joback Calculated Property
Δfus 27.94 kJ/mol Joback Calculated Property
Δvap 72.54 kJ/mol Joback Calculated Property
logPoct/wat 4.14 Crippen Calculated Property
Pc 1726.03 kPa Joback Calculated Property
Tboil 883.99 K Joback Calculated Property
Tc 1147.88 K Joback Calculated Property
Tfus 596.62 K Joback Calculated Property
Vc 0.98 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 984.32 J/mol×K 883.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
>C=O (ring) 2
>C< (ring) 2
-CH3 2
>CH- (ring) 6
-CH2- (ring) 9

Similar Compounds

5«alpha»,17«beta»-Dihydrotestosterone decanoate. 5«beta»,17«alpha»-Dihydroepitestosterone decanoate. 5«beta»,17«alpha»-Dihydroepitestosterone octadecanoate. 5«beta»,17«beta»-Dihydrotestosterone tetradecanoate. 5«beta»,17«beta»-Dihydrotestosterone octadecanoate. 5«alpha»,17«beta»-Dihydrotestosterone dodecanoate. 5«alpha»,17«alpha»-Dihydroepitestosterone decanoate. 5«beta»,17«alpha»-Dihydroepitestosterone dodecanoate. 5«beta»,17«beta»-Dihydrotestosterone heptanoate. 5«beta»,17«beta»-Dihydrotestosterone dodecanoate. 5«alpha»,17«alpha»-Dihydroepitestosterone octadecanoate. 5«beta»,17«alpha»-Dihydroepitestosterone heptanoate. 5«alpha»,17«beta»-Dihydrotestosterone tetradecanoate. 5«alpha»,17«beta»-Dihydrotestosterone heptanoate. 5«alpha»,17«alpha»-Dihydroepitestosterone heptanoate.

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